Version2.1 2021-01-09T19:04:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[NH+](CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCCNc2cnccn2)C(C)C C23172064 RHF 6-31G(d) (6D,7F) CC(C)[NH+](CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCCNc2cnccn2)C(C)C C01[X(C20H32N7O4S1)] 186 C1 548 [O-][N+](=O)c1cc(ccc1NCCNc1cnccn1)S(=O)(=O)NCC[NH+](C(C)C)C(C)C [O-][N+](=O)c1cc(ccc1NCCNc1cnccn1)S(=O)(=O)NCC[NH+](C(C)C)C(C)C CC(C)[NH+](CCN[S](=O)(=O)c1ccc(NCCNc2cnccn2)c(c1)[N+]([O-])=O)C(C)C InChIKey=SHYYGVWFIVNTSG-UHFFFAOYSA-O InChI=1S/C20H31N7O4S/c1-15(2)26(16(3)4)12-11-25-32(30,31)17-5-6-18(19(13-17)27(28)29)22-9-10-24-20-14-21-7-8-23-20/h5-8,13-16,22,25H,9-12H2,1-4H3,(H,23,24)/p+1 InChI=1/C20H31N7O4S/c1-15(2)26(16(3)4)12-11-25-32(30,31)17-5-6-18(19(13-17)27(28)29)22-9-10-24-20-14-21-7-8-23-20/h5-8,13-16,22,25H,9-12H2,1-4H3,(H,23,24)/p+1/fC20H32N7O4S/h24,26H/q+1 CC(C)[NH+](CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCCNc2cnccn2)C(C)C C01[X(C20H32N7O4S1)] 186 C01 548 [O-][N+](=O)c1cc(ccc1NCCNc1cnccn1)S(=O)(=O)NCC[NH+](C(C)C)C(C)C CC([NH](C(C)C)CCN[S@]([O])(=O)[C]1[CH][CH][C]([C]([CH]1)[N]([O])[O])[NH]CCN[C]1[CH][N][CH][CH][N]1)C CC(C)[NH](CCN[S]([O])(=O)[C]1[CH][CH][C](NCCN[C]2[CH][N][CH][CH][N]2)[C]([CH]1)N([O])[O])C(C)C InChIKey=MIPHSOPLYJHJFI-UHFFFAOYSA-N InChI=1S/C20H32N7O4S/c1-15(2)26(16(3)4)12-11-25-32(30,31)17-5-6-18(19(13-17)27(28)29)22-9-10-24-20-14-21-7-8-23-20/h5-8,13-16,22,26H,9-12H2,1-4H3,(H,23,24)(H,25,30,31) InChI=1/C20H32N7O4S/c1-15(2)26(16(3)4)12-11-25-32(30,31)17-5-6-18(19(13-17)27(28)29)22-9-10-24-20-14-21-7-8-23-20/h5-8,13-16,22,26H,9-12H2,1-4H3,(H,23,24)(H,25,30,31)/f/h24-25H 3368.0219150354 -1853.6760023 1-A 31424.6612 124 424 548 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.32053 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.0608 10.8458 13.8526 18.3527 25.7824 30.8346 41.3349 53.0183 55.0242 68.1659 89.1724 90.5967 106.5751 112.4603 130.2395 143.0976 155.4659 174.6668 179.5882 187.1381 204.4065 216.5564 220.2550 241.4725 247.8020 266.6194 279.1500 291.6686 294.8901 314.5343 324.8524 335.7519 348.1003 355.4377 368.6218 398.3273 401.5993 420.2202 448.3312 459.6419 469.6758 476.2206 479.3461 481.6603 486.3018 503.9025 524.4205 566.5257 586.9258 601.4747 607.3779 628.0206 637.0683 658.6263 675.0730 684.3067 696.2943 728.9630 754.7234 783.1961 795.4500 807.0849 838.4205 849.2669 872.9016 891.6151 895.8484 912.8143 927.5596 931.8080 944.4259 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3326.8960 3343.1624 3346.4930 3363.6729 3384.3223 3399.3951 3405.2936 3406.2779 3409.4378 3434.1757 3461.9428 3692.9142 3813.7032 3826.7527 3878.9752 5.7664 5.5171 5.5671 4.0822 5.0069 6.1135 5.0570 4.8023 10.5370 2.6625 3.8015 2.8952 3.8055 3.8987 2.3689 3.7799 6.9351 4.6312 3.6415 2.8584 1.6142 1.7321 1.3095 1.7830 3.2352 1.8752 5.0213 3.2748 2.7732 2.0216 2.9184 2.1240 2.7325 2.6479 4.5672 3.0477 3.5276 5.2887 2.5989 2.8129 4.1841 2.6443 4.0453 4.8481 4.0241 3.0634 4.9946 2.7270 2.2421 2.6070 1.8590 5.9001 2.9953 7.4562 3.6978 5.5989 2.9723 6.5073 2.1690 3.6411 2.1794 4.1677 2.4884 2.7189 9.7743 1.3507 2.3655 3.8338 1.6736 2.9245 2.5262 2.0756 2.4164 2.4102 7.2558 1.2099 1.3727 1.3510 1.4937 1.3564 3.5255 1.3862 5.2353 1.4319 3.0446 1.3370 5.8218 2.9622 4.2985 3.2590 1.7001 3.3819 1.9426 2.8401 2.2007 2.3491 2.6341 4.4968 1.8496 2.1493 2.0211 1.5509 1.7839 1.6470 1.9108 2.3808 1.6789 1.2363 1.5712 1.7806 1.2221 1.2521 1.4038 1.3911 2.2803 1.4464 1.3472 1.5692 1.4048 1.2738 1.2591 1.2076 2.3624 1.2816 1.3348 1.9760 1.2603 1.2421 2.4782 1.1959 2.9025 1.1778 1.3525 1.0550 1.0624 1.6946 1.0450 1.0834 2.3824 1.1884 1.0686 1.0670 1.0984 1.0503 1.1159 1.1171 1.0817 3.0329 2.2128 3.0724 6.1216 4.0315 4.8441 8.4309 1.0735 1.0656 1.0478 1.0463 1.0435 1.0396 1.0635 1.0958 1.0973 1.0957 1.0895 1.1050 1.0994 1.1003 1.0946 1.0952 1.0996 1.1010 1.0990 1.0673 1.0964 1.0905 1.0914 1.0919 1.1081 1.0986 1.0940 1.0922 1.0774 1.0761 1.0782 1.0775 0.0001 0.0004 0.0006 0.0008 0.0020 0.0034 0.0051 0.0080 0.0188 0.0073 0.0178 0.0140 0.0255 0.0291 0.0237 0.0456 0.0988 0.0832 0.0692 0.0590 0.0397 0.0479 0.0374 0.0613 0.1170 0.0785 0.2305 0.1641 0.1421 0.1178 0.1815 0.1411 0.1951 0.1971 0.3656 0.2849 0.3352 0.5502 0.3078 0.3501 0.5438 0.3533 0.5476 0.6627 0.5607 0.4583 0.8093 0.5157 0.4551 0.5557 0.4041 1.3711 0.7163 1.9057 0.9929 1.5448 0.8491 2.0373 0.7279 1.3159 0.8125 1.5995 1.0306 1.1554 4.3880 0.6327 1.1185 1.8821 0.8484 1.4961 1.3275 1.1017 1.3520 1.4145 4.3536 0.7532 0.8559 0.8544 0.9504 0.8674 2.3541 0.9660 3.7200 1.0309 2.2070 0.9963 4.3748 2.3485 3.4720 2.6931 1.4306 2.8792 1.6650 2.4889 1.9332 2.1029 2.4436 4.1811 1.7260 2.0199 1.9337 1.5296 1.7795 1.6676 1.9613 2.5946 1.8417 1.4010 1.7985 2.1099 1.4865 1.5543 1.7472 1.7460 2.8910 1.8472 1.7231 2.0696 1.8557 1.7164 1.7846 1.7301 3.3958 1.8711 1.9542 2.9101 1.8658 1.8444 3.6913 1.7947 4.3716 1.7934 2.0834 1.6411 1.6562 2.6550 1.6433 1.7149 3.7832 1.8926 1.7065 1.7126 1.7883 1.7179 1.8295 1.8507 1.8178 5.1234 3.7816 5.6825 11.4498 7.6040 9.3366 17.0518 6.3389 6.4537 6.3976 6.3920 6.4388 6.4373 6.5954 6.8805 6.9768 6.9824 6.9461 7.0559 7.0347 7.0857 7.0531 7.0716 7.1384 7.1797 7.2372 7.0425 7.3089 7.3591 7.4309 7.4603 7.5752 7.5243 7.6019 7.7126 8.6572 9.2213 9.3026 9.5518 2.5901 0.0763 2.7738 0.2713 1.2171 0.6511 4.6539 1.5025 0.2465 0.4269 3.4899 1.7098 1.6700 4.3244 1.4851 1.1834 1.9660 3.7462 0.2685 0.9561 4.0965 0.9487 0.3200 0.8038 1.7851 0.2365 4.7262 0.5376 19.9459 4.2247 3.8634 10.6898 7.9877 9.3811 28.1890 0.4806 5.7748 4.9943 7.7627 6.0044 4.5658 0.5697 20.8004 1.3433 2.5364 32.1573 17.2666 3.0243 34.4615 110.2555 59.2712 149.6729 6.5217 9.5858 85.1312 49.3045 62.3477 31.7498 71.1546 11.6668 56.8098 29.5836 116.8768 2.4777 26.4126 7.2783 12.9578 31.5817 82.7082 113.5802 12.6708 32.3670 9.2986 27.4967 95.5278 7.1191 0.9229 0.6808 3.9450 13.2440 59.3941 2.9917 89.8916 1.2319 5.7181 1.5301 60.9583 70.0546 20.6875 13.0608 68.5877 128.2470 20.1954 15.2273 19.5673 90.4297 2.2775 593.3056 26.0316 128.5577 1.2217 48.3444 1.4419 4.4175 9.2766 20.6556 35.6100 22.1955 46.3232 70.2675 3.4927 7.7810 16.2580 82.5073 213.0330 97.6883 58.7073 17.7865 12.2279 5.2209 11.1951 19.6833 32.1945 4.8832 26.2484 6.8310 12.9505 45.1678 315.9026 1.2617 141.0819 54.9213 86.5324 7.2504 3.2000 12.8368 4.9941 4.4096 138.8671 31.4758 5.9037 1.9110 19.6960 21.1849 48.3770 65.1561 9.3725 272.9277 86.4764 568.8850 220.5163 94.2222 24.8104 798.7825 51.1071 32.0646 15.2376 5.1002 10.7187 1.9225 19.1655 10.8674 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1.00783 1.00783 1.00783 1.00783 5576.7125 53295.8503 55130.5515 0.99996 0.00668 0.00504 -0.00664 0.99995 -0.00787 -0.00510 0.00784 0.99996 1 0.01553 0.00163 0.00157 0.32362 0.03386 0.03274 8.72 15.60 19.93 26.41 37.10 44.36 59.47 76.28 79.17 98.08 128.30 130.35 153.34 161.81 187.39 205.89 223.68 251.31 258.39 269.25 294.10 311.58 316.90 347.43 356.53 383.61 401.63 419.65 424.28 452.54 467.39 483.07 500.84 511.40 530.36 573.10 577.81 604.60 645.05 661.32 675.76 685.18 689.67 693.00 699.68 725.00 754.52 815.10 844.46 865.39 873.88 903.58 916.60 947.62 971.28 984.56 1001.81 1048.82 1085.88 1126.84 1144.48 1161.22 1206.30 1221.91 1255.91 1282.84 1288.93 1313.34 1334.55 1340.66 1358.82 1365.59 1402.05 1435.94 1451.95 1478.90 1480.08 1490.60 1495.13 1499.00 1531.71 1564.75 1580.05 1590.46 1595.89 1618.07 1624.86 1668.99 1684.61 1703.93 1719.41 1729.53 1735.32 1754.70 1756.80 1773.49 1805.40 1807.43 1810.67 1817.13 1833.46 1861.52 1872.11 1886.12 1899.04 1956.76 1963.18 1995.44 2005.46 2040.36 2067.27 2088.41 2091.12 2099.96 2110.53 2118.24 2119.89 2152.62 2154.30 2175.83 2231.61 2243.56 2247.29 2264.83 2268.01 2274.74 2280.68 2284.10 2287.68 2296.20 2300.39 2312.95 2326.38 2337.84 2340.42 2346.21 2350.56 2358.22 2362.08 2365.44 2368.75 2374.73 2391.72 2397.22 2400.11 2412.63 2429.90 2436.23 2450.40 2549.19 2563.51 2574.29 2602.30 2665.73 4554.92 4612.92 4631.74 4633.01 4656.13 4664.23 4667.94 4696.82 4726.43 4731.75 4732.95 4736.66 4741.59 4756.58 4758.15 4762.92 4775.81 4786.66 4810.07 4814.86 4839.58 4869.29 4890.97 4899.46 4900.87 4905.42 4941.01 4980.96 5313.28 5487.07 5505.84 5580.98 0.580227 0.611448 0.612392 0.510694 -1853.095775 -1853.064554 -1853.063610 -1853.165308 3.410968D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE CC(C)[NH+](CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCCNc2cnccn2)C(C)C C23172064 RHF 6-31G(d) (6D,10F) C1 466.223650 |X|Y|Z| 34.762218 46.484576 167.496525 64.685566 16 6 7 12 4 |36.858105| |12.435642|36.858105| |7.665192|12.476629|36.858105| |7.638711|12.443607|7.456380|53.358707| |7.470665|9.356638|6.860468|25.722271|0.500000| |6.324164|7.544422|4.891903|17.113533|0.257978|36.858105| |4.943957|5.113312|3.831539|10.305060|0.216508|12.403636|36.858105| |3.787694|3.857753|3.034497|6.847059|0.136887|7.677473|13.201997|53.358707| |3.021801|3.238498|2.673895|5.649891|0.109847|5.618747|7.059441|15.681266|388.023441| |2.719748|2.860873|2.379370|4.671137|0.089528|4.556899|5.112841|10.597884|94.995159|73.516695| |3.152622|3.596591|2.993703|6.596832|0.123652|6.227548|6.775348|10.515868|94.256020|13.526449|73.516695| |2.537507|2.660722|2.300216|4.513377|0.092464|4.006821|5.197607|9.485450|77.521003|13.083526|13.149434|36.858105| |2.247809|2.297247|2.007310|3.734102|0.076815|3.265039|4.088495|7.379259|49.398471|11.337715|8.787064|13.567626|36.858105| |1.996967|2.031275|1.814964|3.248248|0.067696|2.724427|3.331064|5.499027|33.792788|7.826929|6.831936|7.934614|13.995993|36.858105| |1.940200|1.993348|1.811627|3.206046|0.067589|2.601090|3.155545|4.885601|29.584742|6.493255|6.519070|6.727949|7.814682|13.379103|36.858105| |2.127846|2.228775|2.027135|3.683747|0.078023|2.955182|3.623691|5.431987|33.817540|6.845551|7.917619|7.948405|6.883803|7.908886|13.405602|36.858105| |2.443589|2.600618|2.309647|4.454636|0.093179|3.700113|4.687385|7.262665|50.031306|8.912923|11.677734|13.895530|7.950838|6.882125|7.768308|13.725405|36.858105| |2.021011|2.135214|1.991759|3.501412|0.074888|2.686476|3.181684|4.474999|26.584794|5.485687|6.725275|5.180820|4.524931|5.056202|7.573163|13.179571|7.940979|53.358707| |1.807873|1.891511|1.784552|3.027792|0.064697|2.304338|2.676303|3.763621|21.866049|4.710077|5.456735|4.083209|3.852170|4.530987|6.815103|8.357993|5.459845|21.612857|73.516695| |2.158159|2.321419|2.186445|3.867429|0.083161|2.886951|3.370533|4.538928|26.646968|5.371135|7.179578|4.778865|3.937040|4.077906|5.337113|8.407905|7.279043|21.715659|16.074846|73.516695| |1.731746|1.768477|1.631645|2.788062|0.058951|2.215353|2.618534|3.933616|22.911647|5.206908|5.209986|4.573624|5.232551|7.972404|14.277327|7.819912|5.160247|8.774258|12.761125|8.180606|53.358707| |1.585611|1.602006|1.479764|2.479711|0.052187|1.975881|2.300925|3.478069|19.848748|4.708597|4.458073|3.722171|4.486803|6.603394|7.698601|5.019602|3.867098|5.885633|8.463536|6.057230|17.859372|36.858105| |1.440910|1.454845|1.361846|2.226595|0.046990|1.741777|1.993601|2.934029|16.450229|3.902998|3.802021|2.930419|3.323175|4.355277|5.124540|3.932746|3.113193|5.114454|7.824499|5.426148|10.678420|12.496675|36.858105| |1.335132|1.339613|1.254777|2.025551|0.042569|1.587352|1.796933|2.650970|14.709200|3.568664|3.384232|2.533387|2.901782|3.649072|3.913734|3.113531|2.603486|4.005773|5.872550|4.424932|7.036797|7.897873|13.207315|53.358707| |1.232855|1.234795|1.165716|1.850795|0.038933|1.436065|1.608363|2.340093|12.840315|3.116776|2.993090|2.153569|2.403254|2.896130|3.104508|2.604880|2.223725|3.456290|5.081577|3.913926|5.304839|5.101343|7.692094|18.703219|36.858105| |1.217831|1.218611|1.158170|1.823283|0.038562|1.400346|1.566789|2.246882|12.198888|2.926237|2.874153|2.031432|2.216351|2.628828|2.884589|2.498030|2.130646|3.415413|5.094553|3.905680|4.884504|4.313752|6.377086|10.552911|13.600367|36.858105| |1.130667|1.129871|1.079570|1.677455|0.035439|1.281096|1.419897|2.022039|10.915033|2.629126|2.589316|1.783055|1.923828|2.226913|2.409280|2.140543|1.862912|2.949138|4.342190|3.442286|3.925095|3.330114|4.446316|7.113848|8.063095|14.536367|53.358707| |1.068911|1.067736|1.019473|1.577666|0.033177|1.208178|1.330325|1.902271|10.291498|2.505641|2.437773|1.664054|1.803416|2.067528|2.190263|1.946735|1.718148|2.650766|3.842543|3.115606|3.499635|2.994369|3.813755|6.408266|7.159358|8.433411|19.606857|36.858105| |1.079117|1.078685|1.024789|1.595599|0.033419|1.230923|1.355558|1.957672|10.666563|2.621350|2.509055|1.729107|1.899394|2.189772|2.282426|1.996718|1.766152|2.671451|3.840422|3.121756|3.646484|3.224229|4.050888|7.409222|8.447636|7.213878|11.053026|13.804516|36.858105| |1.153610|1.154636|1.090853|1.718722|0.035978|1.334964|1.480678|2.158275|11.848792|2.914552|2.764263|1.951036|2.177040|2.564255|2.668486|2.273772|1.987112|2.998241|4.322327|3.450340|4.362283|4.070227|5.297225|11.327319|14.467648|8.069700|9.428938|8.066003|14.430723|53.358707| |4.834167|7.160465|6.146666|16.757026|0.257965|7.702124|5.784219|5.941425|29.204878|5.945785|9.495533|3.357429|2.716276|2.387158|2.409387|2.842263|3.462109|3.769848|4.214706|5.614273|2.851088|1.839284|1.658407|2.037968|1.368345|1.349290|1.688770|1.165671|1.178105|1.727597|36.858105| |4.176066|6.174458|5.583422|10.165796|0.157666|5.967778|4.373140|5.000074|25.957633|5.629969|8.407791|2.943818|2.443063|2.151890|2.148972|2.480794|2.969063|3.281966|3.736165|4.796212|2.569846|1.680705|1.522548|1.888602|1.272862|1.249760|1.571793|1.092345|1.107797|1.620313|12.495461|36.858105| |4.153966|5.589419|5.932593|10.156519|0.210019|5.051479|4.456794|4.745033|23.572684|4.874405|7.271963|2.948240|2.435736|2.212291|2.294583|2.722224|3.178516|3.775224|4.267306|5.773895|2.767771|1.778841|1.629504|1.994574|1.349706|1.344765|1.689130|1.160531|1.164052|1.698295|12.482530|7.436936|36.858105| |17.538327|8.779333|6.983307|9.354727|0.219613|5.520048|4.848528|4.971142|20.644619|4.573902|5.347237|2.521347|2.238844|2.012859|1.975855|2.172127|2.467229|2.834018|3.317684|3.964883|2.411318|1.617493|1.475939|1.855931|1.261523|1.252954|1.583315|1.095346|1.101218|1.600383|4.570292|3.761395|4.221823|0.500000| |17.602252|8.908332|7.121681|7.561780|0.148761|4.796895|3.885932|4.310872|18.600092|4.291840|4.829674|2.228987|2.006940|1.800725|1.749400|1.898863|2.148804|2.468953|2.916229|3.426158|2.147539|1.457349|1.333620|1.692924|1.154645|1.141520|1.449520|1.010053|1.019182|1.477171|3.997027|3.683668|3.562299|0.302937|0.500000| |17.626281|8.622374|5.501203|9.326674|0.182589|7.024145|5.559783|5.895063|23.450506|5.346130|5.905145|2.711495|2.419007|2.120521|2.026399|2.200701|2.545108|2.793228|3.257893|3.846123|2.445704|1.652565|1.489428|1.883420|1.272049|1.250112|1.575563|1.096104|1.110823|1.621533|4.423789|3.873302|3.679194|0.300840|0.304408|0.500000| |8.807630|17.623197|8.847579|12.400399|0.183461|7.202762|4.661950|5.100175|23.013296|5.230354|6.416581|2.595885|2.253491|1.979422|1.924112|2.135470|2.498324|2.763430|3.206767|3.894080|2.322674|1.554398|1.409043|1.773719|1.200542|1.179273|1.489676|1.038584|1.053072|1.534814|6.445121|6.646799|4.791977|0.172707|0.211986|0.208531|0.500000| |6.899464|8.762605|17.567941|9.206858|0.200157|4.483586|3.778601|4.026113|18.428798|4.050313|5.113354|2.289546|2.000483|1.826847|1.841924|2.068728|2.333827|2.797835|3.279810|4.035586|2.267668|1.505898|1.391833|1.739961|1.189943|1.188442|1.508085|1.042393|1.043654|1.510207|5.705906|4.749795|6.274752|0.206929|0.172889|0.139997|0.172875|0.500000| |5.514953|8.679420|17.679616|8.957649|0.161576|4.477984|3.521614|3.896136|18.620710|4.149158|5.346675|2.256822|1.959877|1.776810|1.784110|2.008016|2.287789|2.708012|3.168737|3.913556|2.190010|1.455235|1.342409|1.681016|1.148218|1.140364|1.447843|1.005337|1.010893|1.463993|6.593425|6.666150|6.595785|0.140818|0.144875|0.121790|0.212251|0.300590|0.500000| |7.227590|8.975676|17.593940|7.487282|0.143100|4.101735|3.297606|3.681008|16.986247|3.865913|4.650361|2.070016|1.837499|1.669958|1.658241|1.830397|2.060791|2.443134|2.888712|3.463098|2.048552|1.378064|1.273615|1.608031|1.101907|1.094821|1.394441|0.970402|0.975474|1.409060|4.614217|4.480098|4.456170|0.178071|0.223657|0.145353|0.212266|0.302982|0.304455|0.500000| |7.367945|7.658378|4.757516|12.188353|0.199002|17.706262|8.800933|9.041812|34.062098|7.552583|8.712003|3.507299|2.996167|2.516825|2.367932|2.614850|3.176375|3.231178|3.686358|4.457011|2.780931|1.854252|1.640761|2.057538|1.372782|1.336462|1.670783|1.162581|1.186209|1.746517|5.707170|4.984675|4.121511|0.163441|0.155044|0.264409|0.218774|0.118251|0.117324|0.116679|0.500000| |4.909547|6.135079|4.353834|12.334400|0.186618|17.738329|8.840455|9.843560|45.030165|9.194914|13.963542|4.193660|3.355139|2.765745|2.631540|3.006434|3.832094|3.700601|4.129028|5.199829|3.033529|1.983489|1.742873|2.160809|1.432769|1.390293|1.730101|1.202178|1.229305|1.817962|7.859094|6.961302|4.885333|0.119550|0.111535|0.146611|0.180821|0.108870|0.117644|0.102856|0.303673|0.500000| |4.344675|4.694670|3.761417|9.837304|0.224167|8.796788|17.604044|12.610439|48.047968|8.246359|12.816591|5.594854|4.182046|3.490418|3.447198|4.164461|5.541703|5.065668|5.412934|7.243040|3.857553|2.427754|2.108004|2.548312|1.673624|1.639837|2.015663|1.378572|1.398681|2.081324|6.349207|4.469662|5.144493|0.123269|0.096865|0.126639|0.116393|0.106199|0.098162|0.088362|0.173876|0.203223|0.500000| |5.379268|4.971433|3.773021|8.957016|0.207195|8.795440|17.572778|12.625349|37.952206|7.548878|8.752006|4.409310|3.716531|3.127162|2.962637|3.306049|4.037058|4.003700|4.491744|5.468856|3.415180|2.235840|1.952524|2.411034|1.593551|1.559780|1.929033|1.326259|1.346922|1.996022|4.797713|3.719026|3.996491|0.154445|0.115788|0.174091|0.121764|0.105970|0.093305|0.091976|0.218394|0.174118|0.303817|0.500000| |3.713118|3.638994|2.854998|6.018867|0.118927|6.617250|9.012265|25.945910|60.504850|13.804578|10.480255|5.676596|4.979764|3.757509|3.247568|3.450601|4.345615|3.905094|4.402061|5.096731|3.639249|2.430139|2.055899|2.567555|1.669688|1.595925|1.962105|1.364080|1.409022|2.111550|3.755657|3.303867|3.044233|0.097860|0.087802|0.122218|0.100270|0.076592|0.074274|0.072225|0.182604|0.172810|0.179466|0.219728|0.500000| |2.231313|2.255371|1.954478|3.598608|0.073195|3.205258|3.919331|7.339354|46.932311|12.816348|8.068603|8.854052|17.743723|9.034723|5.595848|4.959856|5.656811|4.907841|5.640686|5.755073|5.766176|3.924599|2.988240|3.688025|2.267104|2.076603|2.477269|1.725475|1.829373|2.843216|2.568583|2.351402|2.275521|0.061113|0.055680|0.067588|0.062137|0.053660|0.052803|0.050128|0.083950|0.091673|0.106072|0.100284|0.148600|0.500000| |1.843787|1.856919|1.667444|2.911551|0.060555|2.427947|2.903941|4.739204|27.978204|6.868794|5.739975|5.660950|9.073084|17.798008|8.837908|5.627928|4.963359|5.570640|6.905437|6.004002|9.903411|7.548927|4.714709|5.609474|3.177026|2.799226|3.203809|2.205126|2.375091|3.851946|2.121354|1.937020|1.974993|0.051574|0.046618|0.054495|0.050471|0.046564|0.045272|0.042998|0.063463|0.068201|0.082803|0.077225|0.093228|0.219721|0.500000| |2.599840|2.842851|2.539920|5.012673|0.104735|4.038508|4.979576|7.079686|47.399077|8.215092|13.447030|8.951079|5.644539|4.965148|5.592683|8.997193|17.817397|10.168099|9.049196|15.014251|5.700485|3.246934|2.736589|3.152995|2.020157|1.960231|2.361363|1.601662|1.634263|2.472825|4.092245|3.417730|3.777056|0.072929|0.063078|0.074038|0.075361|0.071439|0.070615|0.062035|0.093268|0.117561|0.174510|0.115544|0.115231|0.124083|0.107845|0.500000| |1.685031|1.730072|1.613677|2.724147|0.057816|2.126616|2.485694|3.637106|21.031049|4.728585|4.945836|4.041561|4.308511|5.822086|9.579291|7.340051|4.796363|10.038473|17.608683|9.015473|26.083915|9.024605|7.643634|6.636785|3.863657|3.707590|4.059742|2.614141|2.669331|4.275015|2.070112|1.863407|2.043072|0.048076|0.042724|0.048136|0.046212|0.045989|0.044383|0.041293|0.054259|0.059390|0.075662|0.066184|0.068259|0.098871|0.146841|0.113600|0.500000| |1.626907|1.625235|1.493316|2.506606|0.052957|2.010634|2.365246|3.598821|19.977668|4.767651|4.399121|3.703829|4.602491|6.688563|6.820098|4.593134|3.709360|5.279051|7.290662|5.596321|12.372039|17.586621|8.923615|9.818536|4.855971|4.145017|4.413487|2.930125|3.151300|5.362800|1.830650|1.665601|1.762647|0.046213|0.041517|0.047389|0.043714|0.042253|0.040519|0.038728|0.052800|0.055536|0.068571|0.064718|0.070635|0.114740|0.230494|0.086412|0.185282|0.500000| |1.537967|1.559991|1.437477|2.405997|0.050136|1.930496|2.220062|3.400534|19.840516|4.832981|4.436853|3.671568|4.534290|6.545426|6.763219|4.580398|3.694412|5.286407|7.382323|5.573719|12.390287|17.530361|8.852519|9.809845|4.755824|3.859012|4.184388|2.862971|3.175855|5.511543|1.790504|1.656370|1.716000|0.043239|0.039384|0.044636|0.042377|0.040362|0.039399|0.037268|0.050514|0.054385|0.064411|0.059409|0.066554|0.113129|0.223135|0.086362|0.189373|0.301450|0.500000| |1.400854|1.426345|1.342426|2.184383|0.045945|1.697306|1.922838|2.810283|15.978067|3.780784|3.759683|2.826158|3.118108|3.981950|4.834794|3.895273|3.065570|5.285355|8.407641|5.600815|9.815536|8.833353|17.465410|12.245667|6.650507|5.843401|5.818606|3.693374|3.879133|6.665770|1.646490|1.519262|1.625929|0.039778|0.036061|0.040022|0.038443|0.038080|0.036968|0.034831|0.044231|0.047486|0.056812|0.051879|0.054393|0.077495|0.115271|0.075937|0.220350|0.174064|0.209539|0.500000| |1.466304|1.474203|1.385152|2.255706|0.047994|1.750662|2.014554|2.923429|16.073302|3.761387|3.735500|2.844304|3.154886|4.037571|4.847414|3.880192|3.066162|5.211880|8.105284|5.563111|9.725661|8.952334|17.608371|12.515445|6.977863|6.929926|6.439855|3.838440|3.852945|6.466456|1.673792|1.523825|1.659581|0.042014|0.037663|0.041978|0.039412|0.039565|0.037814|0.035963|0.045764|0.048245|0.059512|0.055302|0.056700|0.078512|0.117538|0.075674|0.208242|0.217719|0.174629|0.301915|0.500000| |1.311966|1.319047|1.232171|1.991133|0.041594|1.569161|1.766161|2.629486|14.747506|3.630831|3.379116|2.525652|2.930020|3.664148|3.788274|3.005260|2.553995|3.800300|5.465275|4.224957|6.542645|7.310254|9.213509|25.961971|9.695434|5.842745|5.998301|4.258737|5.229916|11.139104|1.473370|1.375093|1.432175|0.037023|0.034000|0.037863|0.035823|0.034707|0.033745|0.032267|0.041614|0.043843|0.050804|0.048121|0.052244|0.077035|0.117745|0.062982|0.122706|0.183175|0.219597|0.208843|0.180342|0.500000| |1.279388|1.280940|1.218824|1.925574|0.040932|1.473434|1.659060|2.364987|12.795254|3.031850|3.023863|2.149825|2.324085|2.771791|3.125826|2.723699|2.288457|3.787384|5.755860|4.300428|5.386616|4.577181|6.905248|9.433094|8.782033|17.753103|12.747748|5.918652|5.129585|7.768219|1.426699|1.311972|1.429576|0.036718|0.033207|0.036403|0.034281|0.034880|0.033309|0.031907|0.038887|0.040503|0.048593|0.045940|0.046354|0.059736|0.080578|0.058523|0.116866|0.121596|0.108589|0.174548|0.243424|0.143403|0.500000| |1.013208|1.011368|0.969131|1.487206|0.031259|1.134462|1.242062|1.767319|9.524606|2.321764|2.266597|1.523326|1.637950|1.852867|1.954440|1.762268|1.571421|2.411268|3.471825|2.865479|3.067929|2.564220|3.150506|5.064902|5.101499|5.909822|12.616463|17.748110|8.866373|7.774327|1.098559|1.032307|1.096429|0.028843|0.026677|0.028804|0.027339|0.027531|0.026559|0.025688|0.030391|0.031338|0.035694|0.034450|0.035260|0.043706|0.054509|0.040984|0.063816|0.070013|0.068504|0.085786|0.088701|0.095784|0.129597|0.500000| |1.028720|1.028020|0.977109|1.514127|0.031615|1.168705|1.279341|1.849041|10.075854|2.494330|2.372100|1.615826|1.772778|2.017960|2.075288|1.829734|1.638624|2.438365|3.467112|2.872783|3.249598|2.834187|3.395415|5.984600|5.920944|5.127185|7.805413|8.887775|17.725046|12.684088|1.117183|1.055887|1.101417|0.029085|0.027066|0.029429|0.027958|0.027576|0.026792|0.025901|0.031389|0.032477|0.036508|0.035296|0.037120|0.047842|0.060830|0.042268|0.065683|0.077329|0.079144|0.091301|0.089045|0.123571|0.110508|0.211562|0.500000| |4.179744|5.503637|4.630961|12.543531|0.218372|8.007171|6.758261|7.046401|36.429899|6.965185|13.113019|4.091223|3.164207|2.734372|2.766792|3.351488|4.271904|4.377283|4.770053|6.587395|3.206489|2.037879|1.815347|2.211395|1.472280|1.445751|1.797563|1.238093|1.254847|1.851085|17.653425|8.999465|9.013127|0.111577|0.096489|0.112221|0.142797|0.123607|0.133383|0.103003|0.155225|0.246855|0.223913|0.143862|0.117732|0.081730|0.066323|0.146387|0.064428|0.056103|0.055124|0.050100|0.050716|0.044443|0.042542|0.032277|0.032970|0.500000| |4.259659|6.470247|6.615702|8.839104|0.142662|4.972340|3.727814|4.285560|21.752080|4.847619|6.657575|2.537878|2.158905|1.927230|1.926374|2.192139|2.558911|2.927044|3.383374|4.248603|2.335109|1.541583|1.409067|1.758358|1.192778|1.174979|1.485335|1.034021|1.046221|1.523045|8.703592|17.625907|6.711145|0.105564|0.108318|0.105798|0.198431|0.146676|0.250237|0.148040|0.123746|0.149375|0.104317|0.092141|0.080604|0.058117|0.048710|0.080323|0.047172|0.042541|0.042164|0.039044|0.039276|0.035533|0.034215|0.027235|0.027755|0.173865|0.500000| |3.395222|4.604904|4.410873|7.497281|0.127523|4.748922|3.821002|4.558534|24.960391|5.428165|8.289606|2.914680|2.413200|2.146069|2.168644|2.524968|3.003755|3.388180|3.856361|5.004747|2.601097|1.692793|1.538571|1.902120|1.282513|1.259253|1.583632|1.100514|1.116094|1.632550|8.986047|17.590625|6.830464|0.087505|0.084822|0.088783|0.134135|0.109905|0.145935|0.102231|0.111511|0.154985|0.111952|0.090556|0.083348|0.063939|0.053544|0.097404|0.052728|0.046181|0.046480|0.042967|0.042642|0.038516|0.036717|0.028886|0.029547|0.221446|0.303008|0.500000| |4.158030|5.897498|4.864528|9.382105|0.142685|6.555166|4.540319|5.399030|28.298228|6.310343|9.121496|3.056991|2.546698|2.206878|2.162634|2.464699|2.978915|3.187750|3.633679|4.567033|2.571258|1.693102|1.522778|1.897865|1.274851|1.244025|1.562960|1.090078|1.110677|1.628282|8.733655|17.589888|5.432071|0.100782|0.102389|0.111888|0.194784|0.113845|0.150207|0.114251|0.156888|0.239010|0.122362|0.105479|0.100801|0.069130|0.055340|0.093267|0.051304|0.046747|0.046673|0.042081|0.042099|0.038570|0.036131|0.028589|0.029467|0.213131|0.300840|0.304058|0.500000| |4.174568|5.166005|5.353965|9.496698|0.231857|4.900636|4.716344|4.892624|23.607528|4.814440|7.018406|3.051602|2.524163|2.312521|2.422812|2.893054|3.344528|4.051036|4.561741|6.247251|2.924505|1.868120|1.712845|2.085806|1.410868|1.412716|1.770528|1.210145|1.209418|1.765288|8.751944|5.437236|17.537785|0.124510|0.097963|0.103240|0.118761|0.171222|0.150406|0.114868|0.111467|0.125036|0.158384|0.121384|0.086424|0.064914|0.057156|0.110172|0.060155|0.051636|0.049550|0.047270|0.048870|0.041349|0.041957|0.031719|0.031676|0.212162|0.138227|0.139726|0.121983|0.500000| |3.381655|4.330486|4.544236|7.508619|0.152003|4.261060|3.909407|4.393600|22.977272|4.762407|7.248808|2.945583|2.424448|2.223341|2.339803|2.812118|3.259325|3.988904|4.497838|6.243107|2.830834|1.806243|1.660725|2.022920|1.369164|1.364805|1.713427|1.176380|1.179563|1.721411|8.979482|6.745645|17.584246|0.094772|0.082702|0.085730|0.109333|0.130534|0.143105|0.101166|0.097921|0.120412|0.126791|0.096374|0.078242|0.062346|0.054962|0.109853|0.058551|0.049211|0.048507|0.046427|0.046850|0.040376|0.040327|0.030860|0.030984|0.224301|0.164679|0.202134|0.139345|0.303704|0.500000| 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